#------------------------------------------------------------------------------
#$Date: 2014-07-23 12:49:31 +0300 (Wed, 23 Jul 2014) $
#$Revision: 120677 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/05/4000543.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4000543
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
_chemical_name_systematic         'Tin(II) pyrophosphate'
_chemical_name_common             'Tin(II) pyrophosphate'
_chemical_formula_moiety          'Sn2 P2 O7'
_chemical_formula_structural      'Sn2 [P2 O7]'
_chemical_formula_sum             'O7 P2 Sn2'
_chemical_formula_weight          411.32
_cell_formula_units_Z             2
_chemical_melting_point           870
_cell_measurement_temperature     773
_cell_length_a                         7.1765(4)
_cell_length_b                         9.2874(6)
_cell_length_c                         5.2968(4)
_cell_angle_alpha                      90.0
_cell_angle_beta                       106.0340(32)
_cell_angle_gamma                      90.0
_cell_volume                           339.30(5)
_symmetry_cell_setting                 monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z
       2 -x+1/2,+y+1/2,-z+1/2
      -1 -x,-y,-z
      -2 +x+1/2,-y+1/2,+z+1/2
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
Sn1 Sn 0.1539(8) 0.6215(5) 0.7945(10) 1.0 Uiso 0.025 4
P P 0.9083(29) 0.1125(20) 0.7757(34) 1.0 Uiso 0.025  4
O1 O 0.0 0.0 0.0 1.0 Uiso 0.025 2
O2 O 0.737(5) 0.0311(30) 0.650(6) 1.0 Uiso 0.025 4
O3 O 0.824(5) 0.1834(29) 0.965(6) 1.0 Uiso 0.025 4
O4 O 0.064(5) 0.1621(33) 0.699(6) 1.0 Uiso 0.025 4
_cod_database_code 4000543
_journal_paper_doi 10.1021/cm048463h